Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0CR6B
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| Former ID |
DNC006730
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| Drug Name |
4'-cyano-3-(imidazolylmethyl)flavone
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C20H13N3O2
|
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C#N)CN4C=CN=C4
|
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| InChI |
1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)20-17(12-23-10-9-22-13-23)19(24)16-3-1-2-4-18(16)25-20/h1-10,13H,12H2
|
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| InChIKey |
IOBDYJIIOAQKGQ-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 19 | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Estradiol biosynthesis II | |||||
| Estradiol biosynthesis I | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| NetPath Pathway | FSH Signaling Pathway | ||||
| PANTHER Pathway | Androgen/estrogene/progesterone biosynthesis | ||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| Reactome | Endogenous sterols | ||||
| WikiPathways | Metapathway biotransformation | ||||
| Tryptophan metabolism | |||||
| Oxidation by Cytochrome P450 | |||||
| Ovarian Infertility Genes | |||||
| Metabolism of steroid hormones and vitamin D | |||||
| FSH signaling pathway | |||||
| Integrated Breast Cancer Pathway | |||||
| Phase 1 - Functionalization of compounds | |||||
| References | |||||
| REF 1 | J Med Chem. 2006 Jul 27;49(15):4777-80.Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme. | ||||
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